5-[(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)-(4-nitrophenyl)methyl]-3-chloranyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)-(4-nitrophenyl)methyl]-3-chloranyl-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-carboxy-5-chloro-4-hydroxy-phenyl)-(4-nitrophenyl)methyl]-3-chloro-2-hydroxy-benzoic acid CAS Name: 5-[(3-carboxy-5-chloro-4-hydroxyphenyl)-(4-nitrophenyl)methyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: 5-[(3-carboxy-5-chloro-4-hydroxyphenyl)-(4-nitrophenyl)methyl]-3-chloro-2-hydroxybenzoic acid Traditional Name: 5-[(3-carboxy-5-chloro-4-hydroxy-phenyl)-(4-nitrophenyl)methyl]-3-chloro-2-hydroxy-benzoic acid Formula: C21H13Cl2NO8 MolecularWeight: 478.23582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=CC(=C(C(=C2)C(=O)O)O)Cl)C3=CC(=C(C(=C3)C(=O)O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C2=CC(=C(C(=C2)C(=O)O)O)Cl)C3=CC(=C(C(=C3)C(=O)O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13Cl2NO8/c22-15-7-10(5-13(18(15)25)20(27)28)17(9-1-3-12(4-2-9)24(31)32)11-6-14(21(29)30)19(26)16(23)8-11/h1-8,17,25-26H,(H,27,28)(H,29,30)